SCHEMBL556555

SCHEMBL556555

COC[C@H](C)COCc1ccc([C@@]2(O)CCN(C(=O)OC(C)(C)C)C[C@@H]2c2ccc(-c3ccccc3CCN)cc2C)cc1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
REN P00797 6/20 0.59
KCNH2 Q12809 6/20 0.59
CYP3A4 P08684 1/20 0.41
TACR1 P25103 1/20 0.33
ALK Q9UM73 1/20 0.33
SMARCA2 P51531 1/20 0.32
SMARCA4 P51532 1/20 0.32
PBRM1 Q86U86 1/20 0.32
JAK2 O60674 3/20 0.32
JAK1 P23458 3/20 0.32
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32
GPR119 Q8TDV5 3/20 0.31
USP30 Q70CQ3 1/20 0.30
KAT7 O95251 1/20 0.30
KAT8 Q9H7Z6 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL556610 0.93 REN (0.64) RENKCNH2CYP3A4TACR1ALK
SCHEMBL557670 0.92 REN (0.64) RENKCNH2CYP3A4TACR1ALK
SCHEMBL557191 0.91 REN (0.63) RENKCNH2CYP3A4TACR1ALK
SCHEMBL556137 0.90 REN (0.62) RENKCNH2CYP3A4TACR1ALK
SCHEMBL556433 0.89 REN (0.60) RENKCNH2CYP3A4TACR1ALK
SCHEMBL556596 0.89 REN (0.54) RENKCNH2CYP3A4TACR1ALK
SCHEMBL556537 0.82 KCNH2 (0.72) RENKCNH2CYP3A4TACR1ALK
SCHEMBL556556 0.81 REN (0.55) RENKCNH2CYP3A4
SCHEMBL3099550 0.76 ALK (0.41) RENKCNH2CYP3A4TACR1ALK
SCHEMBL3099564 0.76 ALK (0.41) RENKCNH2CYP3A4TACR1ALK

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120035214-A1 RENIN INHIBITORS MERCK CANADA INC. (CA) 2012-02-09 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120035214-A1 RENIN INHIBITORS REN, ACE, AGTR1 REN 1/4885KCNH2 1198/4885CYP3A4 766/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.